Molecule

ID:44981

General Information
Structure
MolImage
Molecular Formula
C₂₇H₃₆N₂O₄Si
Molecular Mass
480.67124
Exact Mass
480.24443417
Charge
0
InChI
InChI=1S/C27H36N2O4Si/c1-27(2,3)34(5,6)32-18-21-13-24-25(33-21)12-20(14-28-24)22-16-29(17-23(22)26(30)31-4)15-19-10-8-7-9-11-19/h7-14,22-23H,15-18H2,1-6H3/t22-,23+/m1/s1
InChIKey
WACXTLNTNYCVSK-PKTZIBPZSA-N
Canonic Smiles
COC(=O)[C@H]1CN(C[C@@H]1c1cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C)Cc1ccccc1
Isomeric Smiles
c1(ccccc1)CN1C[C@@H]([C@H](C1)c1cnc2c(c1)oc(c2)CO[Si](C)(C(C)(C)C)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.2367091
LogD (pH = 7.4)
2.9694245
Log P
4.5436
Molar Refractivity
130.417
Polarizability
54.37616
Polar Surface Area
64.8
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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